4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

C₂₁H₂₃NO₅ — CID 123262644

About 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 123262644) has the molecular formula C₂₁H₂₃NO₅ and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

• Compound Name: 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
• PubChem CID: 123262644
• Molecular Formula: C₂₁H₂₃NO₅
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.16
• IUPAC Name: 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
• SMILES: C=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
• InChI: InChI=1S/C21H23NO5/c1-13-19(15-6-8-16(24-2)9-7-15)22(21(13)23)12-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-11,19H,1,12H2,2-5H3
• InChIKey: YIHGIIPTPNNSBQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?

The IUPAC name of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (CID 123262644) is 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.

What is the SMILES notation for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?

The canonical SMILES for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is C=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1.

What is the InChIKey of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?

The InChIKey is YIHGIIPTPNNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-19(15-6-8-16(24-2)9-7-15)22(21(13)23)12-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-11,19H,1,12H2,2-5H3.

What are the key properties of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?

4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 123262644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123262644 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.